2019

El Khoury, Léa ; Santos-Martins, Diogo ; Sasmal, Sukanya ; Eberhardt, Jérôme ; Bianco, Giulia ; Ambrosio, Francesca Alessandra ; Solis-Vasquez, Leonardo ; Koch, Andreas ; Forli, Stefano ; Mobley, David L. (2019)
Comparison of affinity ranking using AutoDock-GPU and MM-GBSA scores for BACE-1 inhibitors in the D3R Grand Challenge 4.
In: Journal of Computer-Aided Molecular Design, 33 (12)
doi: 10.1007/s10822-019-00240-w
Artikel, Bibliographie

Santos-Martins, Diogo ; Eberhardt, Jerome ; Bianco, Giulia ; Solis-Vasquez, Leonardo ; Ambrosio, Francesca Alessandra ; Koch, Andreas ; Forli, Stefano (2019)
D3R Grand Challenge 4: prospective pose prediction of BACE1 ligands with AutoDock-GPU.
In: Journal of Computer-Aided Molecular Design, 33 (12)
doi: 10.1007/s10822-019-00241-9
Artikel, Bibliographie